From: Geo Reuter (georeuter_at_gmail.com)
Date: Tue May 08 2018 - 19:08:34 CDT
Hello,
I am trying to do a minimization of a TIP4P 2005 waterbox and got this
error:
FATAL ERROR: UNABLE TO FIND ANGLE PARAMETERS FOR HT OT LP (ATOMS 3 1 2)
This confuses me because from my understanding there should be no angle for
the lone pair in the TIP4P 2005 water model. The topology file I used
contains no angle so I thought this was the case. Does anyone have
experience using TIP4P 2005 and could tell me what went wrong in my
minimization.
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